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Cyclamen Alcohol

CAT: 0572-TRC-C987655-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987655-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4756-19-8
Synonyms
1-Propanol, 3-p-cumenyl-2-methyl- (6CI,7CI,8CI); β-Methyl-4-(1-methylethyl)benzenepropanol; 2-Methyl-3-(4-propan-2-ylphenyl)propan-1-ol; 2-Methyl-3-[4-(propan-2-yl)phenyl]propan-1-ol; 3-(4-Isopropylphenyl)-2-methyl-1-propanol; 3-p-Cumenyl-2-methyl-1-propanol; Cyclamen alcohol; p-Isopropyl-β-methylhydrocinnamic alcohol; Cyclamen Alcohol
Hazard Statement
May cause an allergic skin reaction.
Purity
>95% (HPLC)
Smiles
CC(CO)Cc1ccc(cc1)C(C)C
Molecular Formula
C13 H20 O
Molecular Weight
192.2973
InChI
InChI=1S/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3
Additionnal Information
IUPAC name: 2-methyl-3-(4-propan-2-ylphenyl)propan-1-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

beta-Methyl-4-(1-methylethyl)benzenepropanol

structure

CAS Number4756-19-8
PubChem CID107334
IUPAC Name2-methyl-3-(4-propan-2-ylphenyl)propan-1-ol
Molecular FormulaC13H20O
Molecular Weight192.30
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity145
SMILES
CC(C)C1=CC=C(C=C1)CC(C)CO
InChI
InChI=1S/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKey
RQRYGVZUUYYXGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Methyl-4-(1-methylethyl)benzenepropanol
CAS: 4756-19-8
CID: 107334
Formula: C13H20O
MW: 192.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight192.30
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass192.151415257
Monoisotopic Mass192.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes